1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene

C22H22O4 — CID 162411633

IUPAC1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene
SMILESCOc1cc(OC)c(C(Oc2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H22O4/c1-23-18-14-19(24-2)21(20(15-18)25-3)22(16-10-6-4-7-11-16)26-17-12-8-5-9-13-17/h4-15,22H,1-3H3
InChIKeyXCLVIFNDFFPYGS-UHFFFAOYSA-N
MW350.41 g/mol
LogP4.88
Rot. Bonds7

About 1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene

1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene (PubChem CID 162411633) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene.

Molecular Properties

Compound Name1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene
PubChem CID162411633
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene
SMILESCOc1cc(OC)c(C(Oc2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H22O4/c1-23-18-14-19(24-2)21(20(15-18)25-3)22(16-10-6-4-7-11-16)26-17-12-8-5-9-13-17/h4-15,22H,1-3H3
InChIKeyXCLVIFNDFFPYGS-UHFFFAOYSA-N
XLogP4.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bromo(phenyl)methyl]-1,3,5-trimethoxybenzene
CID 61095892
2-[tert-butylsulfonyl(phenyl)methyl]-1,3,5-trimethoxybenzene
CID 154721041
2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol
CID 25139966
2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene
CID 46896091
2-[bromo-(3-bromophenyl)methyl]-1,3,5-trimethoxybenzene
CID 63438924
(2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol
CID 23628905
2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol
CID 23628742
[(3-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl] trifluoromethanesulfonate
CID 175486411
2-(1-bromopropyl)-1,3,5-trimethoxybenzene
CID 61098697
4-[phenoxy(phenyl)methyl]phenol
CID 174712499
(2,6-dimethoxy-4-methylphenyl)-phenylmethanol
CID 101134795
1,3,5-trimethoxy-2-(2-phenylethenyl)benzene
CID 3809571

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene?
The IUPAC name of 1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene (CID 162411633) is 1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene.
What is the SMILES notation for 1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene?
The canonical SMILES for 1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene is COc1cc(OC)c(C(Oc2ccccc2)c2ccccc2)c(OC)c1.
What is the InChIKey of 1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene?
The InChIKey is XCLVIFNDFFPYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-23-18-14-19(24-2)21(20(15-18)25-3)22(16-10-6-4-7-11-16)26-17-12-8-5-9-13-17/h4-15,22H,1-3H3.
What are the key properties of 1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene?
1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene has a molecular weight of 350.41 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene is sourced from PubChem (CID 162411633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).